Vitas-M small molecule compound

N-(4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}butanoyl)-L-methionine

Catalog ID
STL545487
SMILES CSCC[C@@H](C(=O)O)NC(=O)CCCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C30H39N3O8S MW 601.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H39N3O8S/c1-17(34)32-21-10-8-18-15-25(39-2)28(40-3)29(41-4)27(18)19-9-11-22(24(35)16-20(19)21)31-13-6-7-26(36)33-23(30(37)38)12-14-42-5/h9,11,15-16,21,23H,6-8,10,12-14H2,1-5H3,(H,31,35)(H,32,34)(H,33,36)(H,37,38)/t21-,23-/m0/s1
InChIKey
UTUFMSZTWWBEBA-GMAHTHKFSA-N
Synonyms

(2~(S))2(4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)butanoylamino)4methylsulfanylbutanoicacid
(S)2(4(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanamido)4(methylthio)butanoicacid
110208216
CSCC(C@@H)(C(=O)O)NC(=O)CCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC30H39N3O8Sc117(34)3221108181525(392)28(403)29(414)27(18)1991122(24(35)1620(19)21)31136726(36)3323(30(37)38)1214425h91115162123H68101214H215H3(H3135)(H3234)(H3336)(H3738)t2123m0s1
N(4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanoyl)Lmethionine
ZINC000253413433
ZINC253413433

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Available files

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